ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide

C19H25NO — CID 156850007

IUPACethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
SMILESCC.Cc1cc(C(C)C)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C17H19NO.C2H6/c1-12(2)15-9-10-16(13(3)11-15)18-17(19)14-7-5-4-6-8-14;1-2/h4-12H,1-3H3,(H,18,19);1-2H3
InChIKeyDAEIXXDSASYUNR-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.40
Rot. Bonds3

About ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide

ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide (PubChem CID 156850007) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Nameethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
PubChem CID156850007
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Nameethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
SMILESCC.Cc1cc(C(C)C)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C17H19NO.C2H6/c1-12(2)15-9-10-16(13(3)11-15)18-17(19)14-7-5-4-6-8-14;1-2/h4-12H,1-3H3,(H,18,19);1-2H3
InChIKeyDAEIXXDSASYUNR-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-[2-methyl-4-(2-methylpropanoylcarbamothioylamino)phenyl]benzamide
CID 17099680
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-hydroxy-N-(2-methyl-5-propan-2-ylphenyl)benzamide
CID 172640282
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
CID 110867247
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide?
The IUPAC name of ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide (CID 156850007) is ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide?
The canonical SMILES for ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide is CC.Cc1cc(C(C)C)ccc1NC(=O)c1ccccc1.
What is the InChIKey of ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide?
The InChIKey is DAEIXXDSASYUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C2H6/c1-12(2)15-9-10-16(13(3)11-15)18-17(19)14-7-5-4-6-8-14;1-2/h4-12H,1-3H3,(H,18,19);1-2H3.
What are the key properties of ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide?
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide has a molecular weight of 283.42 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 156850007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).